Information card for entry 7713364

Structure parameters

• Formula: C32 H38 N6 Ni S4
• Calculated formula: C32 H38 N6 Ni S4
• Title of publication: Thermochromism of rapid responses to temperature changes <i>versus</i> mechanochromism in a Ni-dithiolene complex salt.
• Authors of publication: Xu, Lei; Wang, Yi-Ming; Feng, Zi-Heng; Qian, Yin; Gao, Yan; Tian, Zheng-Fang; Ren, Xiao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 26
• Pages of publication: 8918 - 8926
• a: 7.3761 ± 0.0007 Å
• b: 8.4798 ± 0.0007 Å
• c: 14.8502 ± 0.0014 Å
• α: 91.382 ± 0.003°
• β: 92.267 ± 0.003°
• γ: 107.566 ± 0.003°
• Cell volume: 884.21 ± 0.14 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No